SCHEMBL18447374

SCHEMBL18447374

O=C1CCCC(c2ccccc2)N1C(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
TP53 P04637 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 4/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 3/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 3/20 0.44
GRIN2B Q13224 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9154699 0.74 TPSAB1 (0.48) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL3337090 0.72 ITGB1 (0.68) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL11499414 0.71 ALDH1A1 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL1273314 0.71 CHRM2 (0.50) POLB
SCHEMBL18447471 0.70 ITGB1 (0.38) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL5837860 0.70 L3MBTL1 (0.58) KDM4ETSHRL3MBTL1POLB
SCHEMBL27552925 0.70 HTT (0.59) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL1240108 0.69 KDM4E (0.54) ALDH1A1KDM4ETSHR
SCHEMBL12918110 0.69 CHRNB2 (0.44)
SCHEMBL27338294 0.69 SMN1; SMN2 (0.55) SMN1; SMN2TP53NPC1RAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11178873-B2 Cyclic N-carboxamide compounds useful as herbicides FMC CORPORATION (US) 2021-11-23 US claimed
US-10653148-B2 2020-05-19 US claimed
US-20180213788-A1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES FMC CORPORATION 2018-08-02 US claimed
EP-3328836-A1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2018-06-06 EP claimed
WO-2017023515-A1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-02-09 WO claimed
CN-108137512-B Cyclic N-amide compounds useful as herbicides FMC公司 2022-05-31 CN disclosed
US-11178873-B2 Cyclic N-carboxamide compounds useful as herbicides FMC CORPORATION (US) 2021-11-23 US disclosed
US-10653148-B2 2020-05-19 US disclosed
US-20180213788-A1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES FMC CORPORATION 2018-08-02 US disclosed
EP-3328836-A1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2018-06-06 EP disclosed
WO-2017023515-A1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-02-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10653148-B2 CYP1B1, CYP1A1, C5 SMN1; SMN2 4235/4885TP53 1608/4885NPC1 1365/4885
US-11178873-B2 Cyclic N-carboxamide compounds useful as herbicides CHRM2, NIT2, CHRM1 SMN1; SMN2 3839/4885TP53 3134/4885NPC1 4244/4885
US-20180213788-A1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES CHRM2, NIT2, CHRM1 SMN1; SMN2 3839/4885TP53 3134/4885NPC1 4244/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.